==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-05 2A2I . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR F.KONA,X.XU,J.LU,P.MARTIN,D.L.GATTI . 518 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 36 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 4 0 0 1 3 0 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1002 A E 0 0 193 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 151.0 8.9 47.8 30.3 2 1003 A K - 0 0 106 1,-0.1 2,-0.2 33,-0.1 33,-0.2 -0.421 360.0-126.9 -65.3 124.2 11.5 50.2 31.6 3 1004 A F E -a 35 0A 2 31,-1.1 33,-3.2 -2,-0.2 2,-0.4 -0.457 20.1-136.0 -73.0 140.4 13.4 52.0 28.9 4 1005 A L E -ab 36 217A 6 212,-1.9 214,-2.3 31,-0.2 2,-0.5 -0.816 17.9-173.5-103.1 134.8 17.2 51.8 29.0 5 1006 A V E -ab 37 218A 0 31,-2.4 33,-2.0 -2,-0.4 2,-0.6 -0.955 4.3-169.9-127.1 110.1 19.5 54.7 28.4 6 1007 A I E +ab 38 219A 0 212,-3.0 214,-3.0 -2,-0.5 2,-0.3 -0.899 25.4 151.6-100.1 121.4 23.2 53.9 28.3 7 1008 A A E +ab 39 220A 2 31,-2.1 33,-2.0 -2,-0.6 214,-0.2 -0.998 2.8 106.9-153.1 155.2 25.3 57.1 28.3 8 1009 A G E - b 0 221A 1 212,-1.2 214,-1.9 -2,-0.3 33,-0.1 -0.906 68.1 -43.3 159.3 176.8 28.6 58.5 29.3 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 214,-0.1 -0.448 50.9-124.1 -70.3 142.0 31.9 59.7 27.9 10 1011 A C S S+ 0 0 0 221,-0.2 32,-2.3 31,-0.2 2,-0.3 0.927 92.4 21.8 -48.4 -54.3 33.5 57.4 25.2 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-1.9 220,-0.2 3,-0.2 -0.826 82.8-112.1-119.5 156.3 36.7 57.1 27.1 12 1013 A I + 0 0 2 30,-2.0 45,-0.3 -2,-0.3 3,-0.1 -0.567 42.9 168.1 -84.1 74.5 37.7 57.5 30.8 13 1014 A E - 0 0 32 -2,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.770 69.9 -26.9 -60.0 -25.7 39.9 60.6 30.0 14 1015 A S > - 0 0 32 -3,-0.2 4,-1.5 1,-0.1 -1,-0.2 -0.927 60.7-104.4-179.4 160.7 40.0 61.1 33.8 15 1016 A E H > S+ 0 0 45 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.772 118.9 59.8 -68.7 -24.4 38.1 60.4 37.0 16 1017 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 101.6 50.1 -68.9 -46.5 37.1 64.1 36.9 17 1018 A L H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.921 110.5 53.4 -57.2 -43.9 35.4 63.9 33.5 18 1019 A L H X S+ 0 0 0 -4,-1.5 4,-3.4 1,-0.2 5,-0.2 0.935 108.3 46.3 -57.5 -51.8 33.5 60.9 34.8 19 1020 A L H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.853 111.2 55.2 -61.2 -33.6 32.1 62.6 37.9 20 1021 A K H X S+ 0 0 104 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.927 114.7 36.8 -65.3 -47.2 31.1 65.6 35.8 21 1022 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.903 114.9 56.6 -72.2 -41.0 29.1 63.5 33.4 22 1023 A G H X S+ 0 0 0 -4,-3.4 4,-2.6 -5,-0.3 5,-0.2 0.879 101.6 57.3 -57.3 -39.3 27.8 61.3 36.2 23 1024 A E H X S+ 0 0 131 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.937 110.6 42.7 -58.0 -47.5 26.5 64.3 38.0 24 1025 A E H X S+ 0 0 32 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.898 113.1 51.5 -67.2 -40.8 24.3 65.2 35.0 25 1026 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.868 108.9 52.2 -65.0 -34.5 23.2 61.6 34.4 26 1027 A K H X S+ 0 0 65 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.934 108.0 51.6 -65.5 -44.9 22.2 61.4 38.1 27 1028 A R H >X S+ 0 0 115 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.934 111.3 47.2 -57.2 -46.7 20.1 64.5 37.7 28 1029 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 -1,-0.2 0.838 105.7 58.2 -65.7 -33.2 18.4 63.1 34.7 29 1030 A S H 3< S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.795 105.0 51.9 -67.4 -27.4 17.7 59.8 36.4 30 1031 A E H << S+ 0 0 97 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.2 0.823 116.8 39.5 -76.4 -31.8 15.8 61.7 39.1 31 1032 A K H < S+ 0 0 111 -4,-1.3 2,-1.7 1,-0.2 -2,-0.2 0.957 115.8 48.2 -80.2 -57.0 13.7 63.4 36.5 32 1033 A F >< + 0 0 5 -4,-3.6 3,-1.8 1,-0.2 -1,-0.2 -0.528 65.5 163.4 -86.9 73.2 13.2 60.5 34.0 33 1034 A K T 3 + 0 0 135 -2,-1.7 -1,-0.2 -3,-0.3 -4,-0.1 0.675 69.5 64.6 -65.6 -17.7 12.1 58.0 36.6 34 1035 A E T 3 S+ 0 0 96 -3,-0.2 -31,-1.1 -32,-0.1 2,-0.4 0.431 94.6 79.7 -84.7 2.0 10.6 55.7 33.9 35 1036 A V E < S-a 3 0A 4 -3,-1.8 2,-0.7 -6,-0.2 -31,-0.2 -0.885 71.8-144.2-112.7 140.3 14.1 55.3 32.5 36 1037 A E E -a 4 0A 46 -33,-3.2 -31,-2.4 -2,-0.4 2,-0.3 -0.910 23.9-154.9-101.5 115.0 16.9 53.0 33.8 37 1038 A F E -a 5 0A 14 -2,-0.7 39,-0.8 -33,-0.2 2,-0.4 -0.699 12.9-172.7 -93.8 143.5 20.2 54.8 33.4 38 1039 A V E -ac 6 76A 0 -33,-2.0 -31,-2.1 -2,-0.3 2,-0.4 -0.980 21.1-134.6-135.4 119.5 23.5 53.0 33.0 39 1040 A F E -ac 7 77A 0 37,-2.9 39,-2.2 -2,-0.4 2,-0.4 -0.609 26.0-164.2 -77.5 128.4 26.7 55.1 33.0 40 1041 A K E + c 0 78A 2 -33,-2.0 2,-0.2 -2,-0.4 39,-0.2 -0.913 22.8 142.3-121.0 142.6 29.2 54.0 30.3 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.783 40.0-122.8-174.3 130.8 32.9 54.7 29.7 42 1043 A S B -i 11 0B 0 -32,-2.3 -30,-2.0 -33,-0.3 3,-0.2 -0.630 4.4-159.2 -82.5 127.8 35.8 52.6 28.3 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.8 37,-0.3 14,-0.4 0.656 87.0 21.6 -76.5 -13.3 38.8 52.0 30.5 44 1045 A D - 0 0 16 36,-0.2 2,-1.1 12,-0.1 -1,-0.3 -0.932 57.7-152.0-159.4 131.6 40.6 51.3 27.2 45 1046 A K > + 0 0 21 10,-2.2 3,-0.7 -2,-0.3 11,-0.1 -0.817 29.7 172.3 -98.9 87.4 40.1 52.0 23.5 46 1047 A A T 3 + 0 0 3 -2,-1.1 324,-1.6 1,-0.2 325,-0.4 0.413 67.8 48.4 -81.3 1.1 41.9 48.8 22.4 47 1048 A N T 3 + 0 0 44 322,-0.2 -1,-0.2 323,-0.1 322,-0.1 0.039 68.5 150.7-131.3 28.6 41.1 49.1 18.7 48 1049 A R < - 0 0 26 -3,-0.7 322,-0.1 1,-0.1 147,-0.1 -0.196 51.3-125.4 -55.6 156.3 41.9 52.7 17.7 49 1050 A S S S+ 0 0 15 145,-0.2 2,-0.4 1,-0.1 146,-0.2 0.907 92.2 51.5 -71.6 -41.7 42.9 53.0 14.0 50 1051 A S S > S- 0 0 5 144,-0.6 3,-1.5 1,-0.1 -2,-0.1 -0.782 72.1-140.8-103.5 142.4 46.2 54.7 14.8 51 1052 A I T 3 S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.768 105.7 60.2 -64.9 -24.5 48.9 53.6 17.3 52 1053 A H T 3 S+ 0 0 137 142,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.509 85.1 102.1 -83.3 -5.2 49.2 57.3 18.1 53 1054 A S S < S- 0 0 12 -3,-1.5 2,-0.1 1,-0.1 -5,-0.1 -0.359 84.7 -85.7 -80.2 160.6 45.6 57.7 19.3 54 1055 A F + 0 0 46 176,-0.5 -1,-0.1 1,-0.1 -4,-0.1 -0.400 44.6 170.2 -65.1 134.3 44.5 57.9 23.0 55 1056 A R - 0 0 54 1,-0.3 -10,-2.2 -2,-0.1 2,-0.3 0.760 43.1-100.5-112.0 -47.8 43.8 54.5 24.6 56 1057 A G - 0 0 28 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.928 29.3 -78.2 150.6-174.1 43.3 55.1 28.3 57 1058 A H S S- 0 0 99 -14,-0.4 4,-0.4 1,-0.3 -13,-0.1 0.231 80.8 -88.7-107.5 13.7 44.9 54.9 31.7 58 1059 A G > - 0 0 35 -15,-0.8 4,-2.3 2,-0.1 -1,-0.3 -0.014 39.0 -79.0 99.1 155.9 44.6 51.2 32.2 59 1060 A L H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.917 123.4 55.0 -56.0 -50.6 42.1 48.7 33.6 60 1061 A E H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 112.3 40.5 -49.0 -60.9 43.0 49.5 37.3 61 1062 A Y H > S+ 0 0 73 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.925 115.4 52.9 -55.9 -49.7 42.4 53.2 37.1 62 1063 A G H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.905 109.5 46.2 -55.1 -49.6 39.3 52.8 34.9 63 1064 A V H X S+ 0 0 10 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.898 113.7 50.7 -61.6 -41.4 37.6 50.4 37.3 64 1065 A K H X S+ 0 0 119 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.912 111.6 47.4 -62.6 -43.7 38.5 52.6 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.916 113.4 47.6 -65.0 -44.0 37.0 55.6 38.4 66 1067 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.894 108.4 54.9 -64.2 -40.1 33.9 53.8 37.5 67 1068 A R H X S+ 0 0 96 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.848 105.4 54.2 -62.3 -32.3 33.5 52.5 41.0 68 1069 A K H X S+ 0 0 73 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.894 107.1 50.3 -68.0 -39.8 33.6 56.1 42.2 69 1070 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 6,-0.5 0.939 113.9 44.2 -62.6 -48.1 30.8 57.1 39.9 70 1071 A K H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.889 117.0 46.8 -63.1 -40.6 28.6 54.2 41.1 71 1072 A E H < S+ 0 0 137 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 118.0 40.7 -68.7 -43.5 29.5 55.0 44.7 72 1073 A E H < S+ 0 0 95 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.802 131.8 21.2 -78.7 -30.9 29.0 58.7 44.5 73 1074 A F H < S- 0 0 26 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.524 93.1-124.3-116.7 -8.4 25.8 58.7 42.3 74 1075 A G < + 0 0 59 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.863 58.4 152.7 66.2 34.9 24.3 55.2 42.8 75 1076 A L - 0 0 10 -6,-0.5 -1,-0.2 -5,-0.1 -37,-0.1 -0.776 48.9-113.8-101.4 142.8 24.3 54.7 39.1 76 1077 A K E -c 38 0A 87 -39,-0.8 -37,-2.9 -2,-0.3 2,-0.3 -0.354 37.5-140.7 -67.4 154.8 24.6 51.3 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.4 -39,-0.2 19,-1.8 -0.916 22.5 178.3-127.1 147.8 27.8 50.9 35.3 78 1079 A T E +cd 40 96A 0 -39,-2.2 -37,-1.2 -2,-0.3 2,-0.3 -0.994 9.1 158.7-144.5 143.4 28.8 49.4 32.0 79 1080 A T E - d 0 97A 0 17,-1.1 19,-2.5 -2,-0.3 2,-0.3 -0.962 34.7-106.8-156.3 161.0 32.2 49.1 30.3 80 1081 A D E - d 0 98A 10 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.668 19.9-148.8-100.6 152.2 33.7 46.9 27.6 81 1082 A I - 0 0 0 17,-1.9 3,-0.1 -2,-0.3 32,-0.0 -0.845 8.7-170.2-114.4 155.2 36.3 44.1 27.7 82 1083 A H S S+ 0 0 22 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.583 71.7 27.1-120.2 -17.7 38.8 43.2 25.1 83 1084 A E S > S- 0 0 26 26,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.975 83.3-107.1-144.0 154.4 40.3 39.9 26.3 84 1085 A S G > S+ 0 0 27 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.837 110.7 62.8 -50.0 -45.9 38.9 37.1 28.5 85 1086 A W G 3 S+ 0 0 145 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.724 95.1 63.4 -57.3 -21.8 41.0 37.9 31.6 86 1087 A Q G <> S+ 0 0 12 -3,-1.6 4,-2.3 1,-0.2 5,-0.3 0.723 83.1 77.5 -77.5 -19.6 39.4 41.3 32.0 87 1088 A A H <> S+ 0 0 3 -3,-1.7 4,-2.3 -4,-0.4 -1,-0.2 0.889 92.4 50.3 -57.0 -43.9 35.9 39.9 32.6 88 1089 A E H > S+ 0 0 154 -4,-0.4 4,-0.5 -3,-0.4 -1,-0.2 0.966 115.0 39.1 -63.1 -56.5 36.5 39.0 36.2 89 1090 A P H >4 S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.919 117.4 50.7 -62.4 -39.5 38.0 42.3 37.5 90 1091 A V H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 3,-2.2 0.898 100.1 64.1 -63.7 -39.7 35.5 44.3 35.4 91 1092 A A H 3< S+ 0 0 13 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.651 86.4 74.1 -60.3 -14.5 32.6 42.4 36.7 92 1093 A E T << S+ 0 0 130 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.694 118.8 11.8 -73.3 -16.9 33.4 43.7 40.2 93 1094 A V T <4 S+ 0 0 1 -3,-2.2 2,-0.4 -4,-0.2 -16,-0.3 0.625 108.4 88.8-126.7 -34.7 32.0 47.1 39.2 94 1095 A A < - 0 0 0 -4,-2.8 -16,-0.2 1,-0.2 3,-0.1 -0.554 45.8-170.9 -77.9 126.2 30.2 46.7 35.9 95 1096 A D S S+ 0 0 37 -18,-2.4 24,-1.9 -2,-0.4 2,-0.4 0.755 86.1 33.7 -80.3 -28.6 26.5 45.8 36.0 96 1097 A I E S-de 78 119A 3 -19,-1.8 -17,-1.1 22,-0.2 2,-0.6 -0.994 76.9-149.2-131.1 125.0 26.6 45.2 32.3 97 1098 A I E -de 79 120A 0 22,-3.2 24,-2.9 -2,-0.4 2,-0.4 -0.844 17.6-148.6 -96.7 124.7 29.6 43.9 30.4 98 1099 A Q E -de 80 121A 5 -19,-2.5 -17,-1.9 -2,-0.6 24,-0.2 -0.757 2.7-150.7 -97.4 137.6 29.9 45.2 26.9 99 1100 A I E - e 0 122A 0 22,-2.9 24,-2.6 -2,-0.4 5,-0.1 -0.932 25.3-119.1-107.9 121.2 31.4 43.2 24.0 100 1101 A P > - 0 0 11 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.195 22.2-116.4 -56.7 149.1 33.1 45.3 21.3 101 1102 A A G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.867 113.9 52.1 -54.6 -46.5 31.6 45.0 17.7 102 1103 A F G 3 S+ 0 0 5 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.734 113.0 48.3 -65.6 -19.6 34.8 43.6 16.2 103 1104 A L G X S+ 0 0 4 -3,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.273 72.4 111.0-106.0 12.3 34.8 40.9 18.9 104 1105 A C T < S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.571 83.2 46.8 -63.6 -10.5 31.1 39.8 18.8 105 1106 A R T 3 S+ 0 0 35 -3,-0.3 2,-1.2 -4,-0.1 -1,-0.3 0.422 78.9 113.8-108.6 -3.7 32.2 36.4 17.4 106 1107 A Q X> - 0 0 15 -3,-1.7 4,-2.1 1,-0.2 3,-0.6 -0.582 52.1-161.9 -75.2 98.5 35.1 35.7 19.9 107 1108 A T H 3> S+ 0 0 2 202,-1.9 4,-2.6 -2,-1.2 5,-0.2 0.844 83.0 49.6 -49.1 -49.2 33.7 32.7 21.8 108 1109 A D H 3> S+ 0 0 59 201,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.847 109.8 51.4 -64.0 -35.4 36.0 32.9 24.8 109 1110 A L H <> S+ 0 0 4 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.949 112.3 46.3 -66.7 -48.0 35.3 36.6 25.4 110 1111 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 114.6 47.9 -58.2 -45.8 31.6 36.0 25.3 111 1112 A L H X S+ 0 0 31 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.899 108.3 54.7 -62.6 -41.8 32.0 33.0 27.6 112 1113 A A H < S+ 0 0 11 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.872 111.3 45.1 -59.6 -39.5 34.2 35.0 30.0 113 1114 A A H ><>S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 5,-0.5 0.941 110.0 54.6 -70.0 -48.0 31.5 37.7 30.3 114 1115 A A H ><5S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.855 100.9 56.7 -56.1 -42.7 28.6 35.2 30.7 115 1116 A K T 3<5S+ 0 0 158 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.616 90.0 75.2 -70.3 -9.4 30.0 33.3 33.7 116 1117 A T T < 5S- 0 0 42 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.713 102.3-126.1 -73.3 -18.8 30.4 36.5 35.8 117 1118 A G T < 5S+ 0 0 44 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.398 70.7 124.8 87.7 -4.3 26.6 36.5 36.3 118 1119 A R S - 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